BindingDB logo
myBDB logout

8 similar compounds to monomer 50431425

Compile data set for download or QSAR
Wt: 312.4
BDBM50431424		Wt: 348.4
BDBM50431426		Wt: 312.4
BDBM50431427		Wt: 312.4
BDBM50431428		Wt: 332.8
BDBM50431429
Wt: 316.3
BDBM50431430		Wt: 298.3
BDBM50431431		Wt: 236.3
BDBM50431433

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50431424,50431426,50431427,50431428,50431429,50431430,50431431,50431433   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431426
PNG
(CHEMBL2348280)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2cccc3ccccc23)c1=O
Show InChI InChI=1S/C22H24N2O2/c1-4-5-13-24-16(3)15(2)14-20(22(24)26)23-21(25)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,14H,4-5,13H2,1-3H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 12n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB2 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431424
PNG
(CHEMBL2348277)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2C)c1=O
Show InChI InChI=1S/C19H24N2O2/c1-5-6-11-21-15(4)14(3)12-17(19(21)23)20-18(22)16-10-8-7-9-13(16)2/h7-10,12H,5-6,11H2,1-4H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 14n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB2 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431429
PNG
(CHEMBL2348276)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2Cl)c1=O
Show InChI InChI=1S/C18H21ClN2O2/c1-4-5-10-21-13(3)12(2)11-16(18(21)23)20-17(22)14-8-6-7-9-15(14)19/h6-9,11H,4-5,10H2,1-3H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 16n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB2 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431426
PNG
(CHEMBL2348280)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2cccc3ccccc23)c1=O
Show InChI InChI=1S/C22H24N2O2/c1-4-5-13-24-16(3)15(2)14-20(22(24)26)23-21(25)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,14H,4-5,13H2,1-3H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 19n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB1 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431428
PNG
(CHEMBL2348278)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2cccc(C)c2)c1=O
Show InChI InChI=1S/C19H24N2O2/c1-5-6-10-21-15(4)14(3)12-17(19(21)23)20-18(22)16-9-7-8-13(2)11-16/h7-9,11-12H,5-6,10H2,1-4H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 42n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB2 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431427
PNG
(CHEMBL2348279)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccc(C)cc2)c1=O
Show InChI InChI=1S/C19H24N2O2/c1-5-6-11-21-15(4)14(3)12-17(19(21)23)20-18(22)16-9-7-13(2)8-10-16/h7-10,12H,5-6,11H2,1-4H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 72n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB2 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431430
PNG
(CHEMBL2348275)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2F)c1=O
Show InChI InChI=1S/C18H21FN2O2/c1-4-5-10-21-13(3)12(2)11-16(18(21)23)20-17(22)14-8-6-7-9-15(14)19/h6-9,11H,4-5,10H2,1-3H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 88n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB2 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431431
PNG
(CHEMBL2348274)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2)c1=O
Show InChI InChI=1S/C18H22N2O2/c1-4-5-11-20-14(3)13(2)12-16(18(20)22)19-17(21)15-9-7-6-8-10-15/h6-10,12H,4-5,11H2,1-3H3,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 89n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB2 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431428
PNG
(CHEMBL2348278)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2cccc(C)c2)c1=O
Show InChI InChI=1S/C19H24N2O2/c1-5-6-10-21-15(4)14(3)12-17(19(21)23)20-18(22)16-9-7-8-13(2)11-16/h7-9,11-12H,5-6,10H2,1-4H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 343n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB1 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431424
PNG
(CHEMBL2348277)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2C)c1=O
Show InChI InChI=1S/C19H24N2O2/c1-5-6-11-21-15(4)14(3)12-17(19(21)23)20-18(22)16-10-8-7-9-13(16)2/h7-10,12H,5-6,11H2,1-4H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 390n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB1 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431429
PNG
(CHEMBL2348276)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2Cl)c1=O
Show InChI InChI=1S/C18H21ClN2O2/c1-4-5-10-21-13(3)12(2)11-16(18(21)23)20-17(22)14-8-6-7-9-15(14)19/h6-9,11H,4-5,10H2,1-3H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 391n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB1 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431430
PNG
(CHEMBL2348275)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2F)c1=O
Show InChI InChI=1S/C18H21FN2O2/c1-4-5-10-21-13(3)12(2)11-16(18(21)23)20-17(22)14-8-6-7-9-15(14)19/h6-9,11H,4-5,10H2,1-3H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 617n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB1 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431427
PNG
(CHEMBL2348279)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccc(C)cc2)c1=O
Show InChI InChI=1S/C19H24N2O2/c1-5-6-11-21-15(4)14(3)12-17(19(21)23)20-18(22)16-9-7-13(2)8-10-16/h7-10,12H,5-6,11H2,1-4H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 854n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB1 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431431
PNG
(CHEMBL2348274)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2)c1=O
Show InChI InChI=1S/C18H22N2O2/c1-4-5-11-20-14(3)13(2)12-16(18(20)22)19-17(21)15-9-7-6-8-10-15/h6-10,12H,4-5,11H2,1-3H3,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.38E+3n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB1 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431433
PNG
(CHEMBL2348272)
Show SMILES CCCCn1c(C)c(C)cc(NC(C)=O)c1=O
Show InChI InChI=1S/C13H20N2O2/c1-5-6-7-15-10(3)9(2)8-12(13(15)17)14-11(4)16/h8H,5-7H2,1-4H3,(H,14,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB2 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431433
PNG
(CHEMBL2348272)
Show SMILES CCCCn1c(C)c(C)cc(NC(C)=O)c1=O
Show InChI InChI=1S/C13H20N2O2/c1-5-6-7-15-10(3)9(2)8-12(13(15)17)14-11(4)16/h8H,5-7H2,1-4H3,(H,14,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB1 receptor expressed in CHO cells

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50431424
PNG
(CHEMBL2348277)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2C)c1=O
Show InChI InChI=1S/C19H24N2O2/c1-5-6-11-21-15(4)14(3)12-17(19(21)23)20-18(22)16-10-8-7-9-13(16)2/h7-10,12H,5-6,11H2,1-4H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced accumulation of cAMP

Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair